Molecule

ID:51798

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O₂
Molecular Mass
236.65436
Exact Mass
236.03525522
Charge
0
InChI
InChI=1S/C11H9ClN2O2/c1-2-16-11(15)9-10(12)14-8-6-4-3-5-7(8)13-9/h3-6H,2H2,1H3
InChIKey
YGTZHKWLTOJGOI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc2ccccc2nc1Cl
Isomeric Smiles
c1(nc2c(nc1Cl)cccc2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6694355
LogD (pH = 7.4)
2.6694355
Log P
2.6694355
Molar Refractivity
59.7184
Polarizability
24.295912
Polar Surface Area
52.08
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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